{"title":"Synthesis and Crystal Structure of Two n-Tetrabutylammonium Inclusion Compounds with 2,2'-Bis(4-hydroxyphenyl)propane As the Main Body","authors":"Y.-X. Yang, S.-H. Fu, Y.-W. Guo, X.-N. Ma, X.-X. Wu","doi":"10.1134/s1063774523600096","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>This paper reports the crystal structures of two <i>n</i>-tetrabutylammonium inclusion compounds of 2,2'-bis(4-hydroxyphenyl)propane (BPA) of (<i>n</i>-C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N<sup>+</sup>⋅C<sub>15</sub>H<sub>15</sub>O<span>\\(_{2}^{ - }\\)</span>⋅3C<sub>15</sub>H<sub>16</sub>O<sub>2</sub>⋅C<sub>2</sub>H<sub>5</sub>OH (<b>1</b>) and 2(<i>n</i>-C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N<sup>+</sup>⋅C<sub>2</sub>O<span>\\(_{4}^{{2 - }}\\)</span>⋅2C<sub>15</sub>H<sub>16</sub>O<sub>2</sub> (<b>2</b>), which were characterized by single crystal X-ray diffraction. The experimental data show that <b>1</b> can be classified to be the triclinic crystal system of <i>P</i><span>\\(\\bar {1}\\)</span> space group and <b>2</b> to be the orthorhombic system of <i>Pna</i>2<sub>1</sub> with higher symmetry. Interestingly, the crystal structures of the two inclusion compounds have the same point during the formation of the related structures. In these two crystals with varied symmetry, BPA molecules or ions and the bridging auxiliary molecules first form a separate hydrogen bond unit, then the hydrogen-bonded units pack to form the three-dimensional host framework by different symmetry operations. And finally the guest tetrabutylammonium cations are arranged between the varied voids of the host skeleton to yield the stable crystalline structures.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":null,"pages":null},"PeriodicalIF":0.6000,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystallography Reports","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1134/s1063774523600096","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
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Abstract
This paper reports the crystal structures of two n-tetrabutylammonium inclusion compounds of 2,2'-bis(4-hydroxyphenyl)propane (BPA) of (n-C4H9)4N+⋅C15H15O\(_{2}^{ - }\)⋅3C15H16O2⋅C2H5OH (1) and 2(n-C4H9)4N+⋅C2O\(_{4}^{{2 - }}\)⋅2C15H16O2 (2), which were characterized by single crystal X-ray diffraction. The experimental data show that 1 can be classified to be the triclinic crystal system of P\(\bar {1}\) space group and 2 to be the orthorhombic system of Pna21 with higher symmetry. Interestingly, the crystal structures of the two inclusion compounds have the same point during the formation of the related structures. In these two crystals with varied symmetry, BPA molecules or ions and the bridging auxiliary molecules first form a separate hydrogen bond unit, then the hydrogen-bonded units pack to form the three-dimensional host framework by different symmetry operations. And finally the guest tetrabutylammonium cations are arranged between the varied voids of the host skeleton to yield the stable crystalline structures.
Abstract This paper reports the crystal structures of two n-tetrabutylammonium inclusion compounds of 2、2'-双(4-羟基苯基)丙烷（BPA）的两种正四丁基铵包合物的晶体结构，分别为(n-C4H9)4N+⋅C15H15O\(_{2}^{ - }}\)⋅3C15H16O2⋅C2H5OH（1）和2(n-C4H9)4N+⋅C2O\(_{4}^{2 - }}\)⋅2C15H16O2（2）。实验数据表明，1 可以归类为 P\(\bar {1}\)空间群的三菱晶系，而 2 则是具有更高对称性的 Pna21 正方晶系。有趣的是，这两种包合物的晶体结构在相关结构的形成过程中具有相同点。在这两种对称性不同的晶体中，双酚 A 分子或离子与桥接的辅助分子首先形成一个独立的氢键单元，然后氢键单元通过不同的对称操作打包形成三维主框架。最后，客体四丁基铵阳离子排列在主骨架的不同空隙之间，形成稳定的晶体结构。
期刊介绍：
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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